REMARK  Name = BDB060417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.338   0.693  -0.067  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        3.073  -0.531   0.445  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        1.776  -0.755   0.194  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        1.162   0.373  -0.419  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        2.208   1.263  -0.593  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        7.264   2.282   0.128  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        6.240   3.023  -0.462  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.938   2.507  -0.532  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        4.652   1.239  -0.009  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.683   0.496   0.582  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        6.978   1.019   0.647  0.00  0.00    +0.048 A 
BRANCH   6  13
ATOM     12  C   LIG    1        8.915   3.948  -0.265  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        8.569   2.672   0.258  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.193  -2.043   0.553  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.263  -2.500   1.875  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        0.695  -3.726   2.228  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.064  -4.506   1.260  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        0.005  -4.065  -0.062  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        0.569  -2.838  -0.417  0.00  0.00    +0.010 A 
ENDBRANCH   3  14
BRANCH   4  20
ATOM     20  C   LIG    1       -0.207   0.663  -0.823  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1       -1.192  -0.088  -0.217  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -0.924  -0.628   0.595  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -0.461   1.566  -1.615  0.00  0.00    -0.270 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.594   0.282  -0.342  0.00  0.00    +0.126 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.605  -0.902  -0.202  0.00  0.00    +0.032 C 
ATOM     26  C   LIG    1       -3.369  -1.641   1.141  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -3.347  -1.942  -1.320  0.00  0.00    +0.029 C 
BRANCH  25  28
ATOM     28  N   LIG    1       -5.028  -0.464  -0.290  0.00  0.00    -0.291 NA
ATOM     29  C   LIG    1       -5.567   0.216   0.906  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1       -6.917   0.894   0.619  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -6.816   1.945  -0.349  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -5.760   1.739  -1.294  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -5.422   0.255  -1.522  0.00  0.00    +0.113 C 
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   4  20
TORSDOF 7